N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide

C8H13N5O2 — CID 20570029

IUPACN-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c1-5(14)10-2-3-11-8-12-4-6(9)7(15)13-8/h4H,2-3,9H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyXEZWIRGLTXHPGD-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds4

About N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide

N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide (PubChem CID 20570029) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide
PubChem CID20570029
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c1-5(14)10-2-3-11-8-12-4-6(9)7(15)13-8/h4H,2-3,9H2,1H3,(H,10,14)(H2,11,12,13,15)
InChIKeyXEZWIRGLTXHPGD-UHFFFAOYSA-N
XLogP-1.10
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide (CID 20570029) is N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide?
The InChIKey is XEZWIRGLTXHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(14)10-2-3-11-8-12-4-6(9)7(15)13-8/h4H,2-3,9H2,1H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide?
N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 20570029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).